dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate

C14H25K2NO4 — CID 142284997

IUPACdipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
SMILESCCCCC(CC)CN(CCC(=O)[O-])CCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H27NO4.2K/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19;;/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+1/p-2
InChIKeyZZSYCEOIIIKRBI-UHFFFAOYSA-L
MW349.55 g/mol
LogP-6.21
Rot. Bonds12

About dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate

dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate (PubChem CID 142284997) has the molecular formula C14H25K2NO4 and a molecular weight of 349.55 g/mol. Its IUPAC name is dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate.

Molecular Properties

Compound Namedipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
PubChem CID142284997
Molecular FormulaC14H25K2NO4
Molecular Weight349.55 g/mol
Exact Mass349.11
IUPAC Namedipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
SMILESCCCCC(CC)CN(CCC(=O)[O-])CCC(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H27NO4.2K/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19;;/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+1/p-2
InChIKeyZZSYCEOIIIKRBI-UHFFFAOYSA-L
XLogP-6.21
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 5-6.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
butyl 3-[butyl(2-ethylhexyl)amino]propanoate
CID 87784711
butyl 3-[dodecyl(2-ethylhexyl)amino]propanoate
CID 87784865
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
potassium 3-(didecylamino)propanoate
CID 101313684
potassium 2-[bis[(E)-2-ethyldec-5-enyl]amino]acetate
CID 101275621
potassium 2-[bis[(E)-2-ethyldec-6-enyl]amino]acetate
CID 101275622
zinc bis(3-ethylheptanoate)
CID 159696376
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
sodium 9-ethyloctadecanoate
CID 23382374
potassium 3-[2-hydroxyhex-5-enyl-[2-(2-hydroxyhexylamino)ethyl]amino]propanoate
CID 101283982

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate?
The IUPAC name of dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate (CID 142284997) is dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate.
What is the SMILES notation for dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate?
The canonical SMILES for dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate is CCCCC(CC)CN(CCC(=O)[O-])CCC(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate?
The InChIKey is ZZSYCEOIIIKRBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H27NO4.2K/c1-3-5-6-12(4-2)11-15(9-7-13(16)17)10-8-14(18)19;;/h12H,3-11H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+1/p-2.
What are the key properties of dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate?
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate has a molecular weight of 349.55 g/mol, XLogP of -6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate is sourced from PubChem (CID 142284997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).